(2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-(4-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-methylphenoxy)propan-2-ol Formula: C21H28ClN2O2+ MolecularWeight: 375.91222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C)O

InChI

InChI=1S/C21H27ClN2O2/c1-16-3-7-20(8-4-16)26-15-19(25)14-23-9-11-24(12-10-23)21-13-18(22)6-5-17(21)2/h3-8,13,19,25H,9-12,14-15H2,1-2H3/p+1/t19-/m0/s1